U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9ClO2S
Molecular Weight 216.685
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((4-CHLORO-2-METHYLPHENYL)THIO)ACETIC ACID

SMILES

CC1=C(SCC(O)=O)C=CC(Cl)=C1

InChI

InChIKey=GREQGIILILTWOH-UHFFFAOYSA-N
InChI=1S/C9H9ClO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H9ClO2S
Molecular Weight 216.685
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:05:32 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:32 GMT 2023
Record UNII
I66W18916F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((4-CHLORO-2-METHYLPHENYL)THIO)ACETIC ACID
Systematic Name English
ACETIC ACID, ((4-CHLORO-2-METHYLPHENYL)THIO)-
Systematic Name English
(4-CHLORO-2-METHYLBENZENEMERCAPTO)ACETIC ACID
Common Name English
(4-CHLORO-O-TOLYLMERCAPTO)ACETIC ACID
Common Name English
CHLOROTOLYLTHIOGLYCOLIC ACID
Systematic Name English
ACETIC ACID, ((4-CHLORO-O-TOLYL)THIO)-
Systematic Name English
((4-CHLORO-O-TOLYL)THIO)ACETIC ACID
Common Name English
RED 3B ACID
Common Name English
4-CHLORO-O-TOLYLTHIOACETIC ACID [HSDB]
Common Name English
ACETIC ACID, 2-((4-CHLORO-2-METHYLPHENYL)THIO)-
Systematic Name English
4-CHLORO-2-METHYLPHENYLTHIOGLYCOLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID1059109
Created by admin on Sat Dec 16 09:05:32 GMT 2023 , Edited by admin on Sat Dec 16 09:05:32 GMT 2023
PRIMARY
CAS
94-76-8
Created by admin on Sat Dec 16 09:05:32 GMT 2023 , Edited by admin on Sat Dec 16 09:05:32 GMT 2023
PRIMARY
PUBCHEM
7205
Created by admin on Sat Dec 16 09:05:32 GMT 2023 , Edited by admin on Sat Dec 16 09:05:32 GMT 2023
PRIMARY
HSDB
2671
Created by admin on Sat Dec 16 09:05:32 GMT 2023 , Edited by admin on Sat Dec 16 09:05:32 GMT 2023
PRIMARY
FDA UNII
I66W18916F
Created by admin on Sat Dec 16 09:05:32 GMT 2023 , Edited by admin on Sat Dec 16 09:05:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-362-7
Created by admin on Sat Dec 16 09:05:32 GMT 2023 , Edited by admin on Sat Dec 16 09:05:32 GMT 2023
PRIMARY